1-(4-chlorophenyl)-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]ethanamine

C17H27ClN2O — CID 62985578

IUPAC1-(4-chlorophenyl)-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]ethanamine
SMILESCNCC1(CN(C)C(C)c2ccc(Cl)cc2)CCOCC1
InChIInChI=1S/C17H27ClN2O/c1-14(15-4-6-16(18)7-5-15)20(3)13-17(12-19-2)8-10-21-11-9-17/h4-7,14,19H,8-13H2,1-3H3
InChIKeyDEOWVBQUXKNXIN-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.35
Rot. Bonds6

About 1-(4-chlorophenyl)-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]ethanamine

1-(4-chlorophenyl)-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]ethanamine (PubChem CID 62985578) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]ethanamine
PubChem CID62985578
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name1-(4-chlorophenyl)-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]ethanamine
SMILESCNCC1(CN(C)C(C)c2ccc(Cl)cc2)CCOCC1
InChIInChI=1S/C17H27ClN2O/c1-14(15-4-6-16(18)7-5-15)20(3)13-17(12-19-2)8-10-21-11-9-17/h4-7,14,19H,8-13H2,1-3H3
InChIKeyDEOWVBQUXKNXIN-UHFFFAOYSA-N
XLogP3.35
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]ethanamine with MolForge

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Related Compounds

1-(4-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine
CID 62984001
2-[1-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]cyclopropyl]acetonitrile
CID 65493424
1-cyclopropyl-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]ethanamine
CID 62391484
1-(4-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine
CID 62260904
1-(4-chlorophenyl)-N-methyl-N-[(4-propylpiperidin-4-yl)methyl]ethanamine
CID 63129786
1-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]cyclobutan-1-amine
CID 81170816
1-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-N-methylmethanamine
CID 62718017
N-methyl-1-[4-(3-methylbutyl)oxan-4-yl]methanamine
CID 62905014
1-(3-chlorophenyl)-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]methanamine
CID 62390445
N,4-dimethyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]pentan-2-amine
CID 55056496
1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine
CID 62979943
1-(4-chlorophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine
CID 115244797

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]ethanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]ethanamine (CID 62985578) is 1-(4-chlorophenyl)-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]ethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]ethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]ethanamine is CNCC1(CN(C)C(C)c2ccc(Cl)cc2)CCOCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]ethanamine?
The InChIKey is DEOWVBQUXKNXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-14(15-4-6-16(18)7-5-15)20(3)13-17(12-19-2)8-10-21-11-9-17/h4-7,14,19H,8-13H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]ethanamine?
1-(4-chlorophenyl)-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]ethanamine has a molecular weight of 310.87 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]ethanamine is sourced from PubChem (CID 62985578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).